4-cyclopentyl-9-methoxy-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-cyclopentyl-9-methoxy-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-cyclopentyl-9-methoxy-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-cyclopentyl-9-methoxy-7-(5-methyl-2-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-cyclopentyl-9-methoxy-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-cyclopentyl-9-methoxy-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C20H26NO2S+ MolecularWeight: 344.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCC4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)C4CCCC4

InChI

InChI=1S/C20H25NO2S/c1-14-7-8-19(24-14)15-11-16-13-21(17-5-3-4-6-17)9-10-23-20(16)18(12-15)22-2/h7-8,11-12,17H,3-6,9-10,13H2,1-2H3/p+1